Cas no 138230-31-6 (Benzoic acid, 2-(acetyloxy)-, mixt. with methyl hydroxybenzoate and propyl hydroxybenzoate)
138230-31-6 structure
Product Name:Benzoic acid, 2-(acetyloxy)-, mixt. with methyl hydroxybenzoate and propyl hydroxybenzoate
CAS No:138230-31-6
MF:C27H28O10
MW:512.505228996277
CID:193841
PubChem ID:132141
Update Time:2025-04-19
Benzoic acid, 2-(acetyloxy)-, mixt. with methyl hydroxybenzoate and propyl hydroxybenzoate Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2-(acetyloxy)-, mixt. with methyl hydroxybenzoate and propyl hydroxybenzoate
- 2-acetyloxybenzoic acid,methyl 2-hydroxybenzoate,propyl 2-hydroxybenzoate
- 2-acetoxybenzoic acid
- methyl 2-hydroxybenzoate
- Pharodoran
- propyl 2-hydroxybenzoate
- DTXSID70160549
- 138230-31-6
- 2-acetyloxybenzoic acid;methyl 2-hydroxybenzoate;propyl 2-hydroxybenzoate
-
- Inchi： 1S/C10H12O3.C9H8O4.C8H8O3/c1-2-7-13-10(12)8-5-3-4-6-9(8)11;1-6(10)13-8-5-3-2-4-7(8)9(11)12;1-11-8(10)6-4-2-3-5-7(6)9/h3-6,11H,2,7H2,1H3;2-5H,1H3,(H,11,12);2-5,9H,1H3
- InChI Key： DDJRJGYGWMZCLH-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC=CC=1O)=O)CCC.O(C(C)=O)C1C=CC=CC=1C(=O)O.OC1C=CC=CC=1C(=O)OC
Computed Properties
- Exact Mass: 512.16824
- Monoisotopic Mass: 512.168247
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 37
- Rotatable Bond Count: 9
- Complexity: 524
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 16
- XLogP3: nothing
- Topological Polar Surface Area: 157
Experimental Properties
- Density: g/cm3
- Boiling Point: 239°Cat760mmHg
- Flash Point: 100.5°C
- PSA: 156.66
Benzoic acid, 2-(acetyloxy)-, mixt. with methyl hydroxybenzoate and propyl hydroxybenzoate Related Literature
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
138230-31-6 (Benzoic acid, 2-(acetyloxy)-, mixt. with methyl hydroxybenzoate and propyl hydroxybenzoate) Related Products
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